(S)-4-Oxo-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid

Base Information

• Chemical Name: (S)-4-Oxo-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
• CAS No.: 113867-24-6
• Molecular Formula: C11H10O3
• Molecular Weight: 190.199
• Hs Code.: 2918300090
• Mol file: 113867-24-6.mol

Synonyms:

Chemical Property of (S)-4-Oxo-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid

Chemical Property:

• Melting Point: 146 - 148oC
• PSA: 54.37000
• LogP: 1.51630
• Storage Temp.: -20°C Freezer, Under inert atmosphere
• Solubility.: DMSO (Slightly), Methanol (Slightly)

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of (S)-4-Oxo-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid

There total 2 articles about (S)-4-Oxo-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

(S)-4-Oxo-1,2,3,4-tetrahydro-naphthalene-2-carboxylic acid 4-nitro-phenyl ester (139265-29-5) → 4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) + (S)-4-oxo-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid (113867-24-6)

Guidance literature:

With Tris-HCl buffer; N,N-dimethyl-formamide; calcium chloride; at 25 ℃; Rate constant; Equilibrium constant; with chymotrypsin, pH 8; dissociation constant of enzyme-substrate complex K_S; k(S/R);

DOI:10.1248/cpb.39.2748

Reference yield:

4-oxo-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid (6566-40-1) → (S)-4-oxo-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid (113867-24-6) + (R)-4-oxo-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid (113867-23-5)

Guidance literature:

4-oxo-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid; With α-ethylbenzylamine; In methanol;

With hydrogenchloride; In water;

Reference yield: 60.0%

4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) + (S)-4-oxo-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid (113867-24-6) → (S)-4-Oxo-1,2,3,4-tetrahydro-naphthalene-2-carboxylic acid 4-nitro-phenyl ester (139265-29-5)

Guidance literature:

With dicyclohexyl-carbodiimide; In ethyl acetate; 1) 0 deg, 2) r.t.;

DOI:10.1248/cpb.39.2748

upstream raw materials:

(S)-4-Oxo-1,2,3,4-tetrahydro-naphthalene-2-carboxylic acid 4-nitro-phenyl ester

4-oxo-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid

Downstream raw materials:

(S)-4-Oxo-1,2,3,4-tetrahydro-naphthalene-2-carboxylic acid 4-nitro-phenyl ester

(S)-4-oxo-1,2,3,4-tetrahydronaphthalen-2-ylmetyl 4-methylbenzenesulfonate

Refernces

• 1、 Tanizawa,Yamada,Itoh,Kanaoka. "Comparison of deacylation rates of chymotryptic catalysis within an enantiomeric pair of p-nitrophenyl esters". . p. 2748 - 2749. Retrieved 2007/10/02.